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CAS 1884680-45-8 “(2R,2’R,3R,3’R)-4,4′-di(anthracen-9-yl)-3,3′-di-tert-butyl-2,2′,3,3′-tetrahydro-2,2′-bibenzo[d][1,3]oxaphosphole” molecular structure lightbox
CAS RN: 1884680-45-8

“(2R,2’R,3R,3’R)-4,4′-di(anthracen-9-yl)-3,3′-di-tert-butyl-2,2′,3,3′-tetrahydro-2,2′-bibenzo[d][1,3]oxaphosphole”

Product Availability

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6 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250526 100mg Out of stock Inquiry
Batchno.20250923 1g In stock Shanghai, Chengdu Inquiry
Batchno.20250518 250mg In stock Shanghai Inquiry
Batchno.20250118 50mg Out of stock Inquiry
Batchno.20260526 5g Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250819 25mg / 100mg / 250mg / 500mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-087702
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1884680-45-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1884680-45-8 / (2R)-4-anthracen-9-yl-2-[(2R)-4-anthracen-9-yl-3-tert-butyl-2H-1,3-benzoxaphosphol-2-yl]-3-tert-butyl-2H-1,3-benzoxaphosphole

Standard CAS: 1884680-45-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1884680-45-8
Multi CAS
No
Molecular Formula
C50H44O2P2
Molecular Weight
738.800000
Exact Mass
738.281655
SMILES
CC(C)(C)P1[C@@H](OC2=CC=CC(=C21)C3=C4C=CC=CC4=CC5=CC=CC=C53)[C@@H]6OC7=CC=CC(=C7P6C(C)(C)C)C8=C9C=CC=CC9=CC1=CC=CC=C18
InChI
InChI=1S/C50H44O2P2/c1-49(2,3)53-45-39(43-35-21-11-7-17-31(35)29-32-18-8-12-22-36(32)43)25-15-27-41(45)51-47(53)48-52-42-28-16-26-40(46(42)54(48)50(4,5)6)44-37-23-13-9-19-33(37)30-34-20-10-14-24-38(34)44/h7-30,47-48H,1-6H3/t47-,48-,53?,54?/m1/s1
InChIKey
HDNWNMANFZGXKV-KHNZDHPSSA-N

Computed Properties

Structural Parameters

Heavy atom count
54
Aromatic heavy atom count
40
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
235.23
TPSA
18.46

LogP / Solubility

WLOGP
13.58
MLOGP
12.02
XLogP3
12.8
Consensus LogP
12.8
Log S (ESOL)
-13.33
Class (ESOL)
Insoluble
Log S (Ali)
-15.42
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-16.1
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
2.42

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
9.5

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